ethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate

C19H22O5 — CID 22743437

IUPACethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(O)(c1cccc(OC)c1)c1cccc(OC)c1
InChIInChI=1S/C19H22O5/c1-4-24-18(20)13-19(21,14-7-5-9-16(11-14)22-2)15-8-6-10-17(12-15)23-3/h5-12,21H,4,13H2,1-3H3
InChIKeySLOUQCFDKTXMSK-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.89
Rot. Bonds7

About ethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate

ethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate (PubChem CID 22743437) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate
PubChem CID22743437
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Nameethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(O)(c1cccc(OC)c1)c1cccc(OC)c1
InChIInChI=1S/C19H22O5/c1-4-24-18(20)13-19(21,14-7-5-9-16(11-14)22-2)15-8-6-10-17(12-15)23-3/h5-12,21H,4,13H2,1-3H3
InChIKeySLOUQCFDKTXMSK-UHFFFAOYSA-N
XLogP2.89
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-2-(3-methoxyphenyl)propanoic acid
CID 114987500
3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol
CID 116696320
ethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate
CID 124561920
2,2,2-tris(3-methoxyphenyl)acetamide
CID 174763658
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate
CID 61001179
2-(3-methoxyphenyl)propane-1,2,3-tricarboxylic acid
CID 170564927
[2-(3-methoxyphenyl)-2-methylpropyl]carbamothioic S-acid
CID 115170588
ethyl 3-(2-bromophenyl)-3-hydroxy-3-phenylpropanoate
CID 102412333
ethyl 3,3-bis[(4-methoxyphenyl)sulfanyl]-3-phenylpropanoate
CID 14593774
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate (CID 22743437) is ethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate is CCOC(=O)CC(O)(c1cccc(OC)c1)c1cccc(OC)c1.
What is the InChIKey of ethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate?
The InChIKey is SLOUQCFDKTXMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-4-24-18(20)13-19(21,14-7-5-9-16(11-14)22-2)15-8-6-10-17(12-15)23-3/h5-12,21H,4,13H2,1-3H3.
What are the key properties of ethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate?
ethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate has a molecular weight of 330.38 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate is sourced from PubChem (CID 22743437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).